2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal

C13H24O7 — CID 57136734

IUPAC2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal
SMILESCOC(OC)[C@H]1[C@@H](C(C=O)CC(O)CO)[C@H](O)C[C@@H]1O
InChIInChI=1S/C13H24O7/c1-19-13(20-2)12-10(18)4-9(17)11(12)7(5-14)3-8(16)6-15/h5,7-13,15-18H,3-4,6H2,1-2H3/t7?,8?,9-,10+,11+,12-/m1/s1
InChIKeyRKFQQENZSRGHCK-MCPGOIETSA-N
MW292.33 g/mol
LogP-1.48
Rot. Bonds8

About 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal

2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal (PubChem CID 57136734) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal.

Molecular Properties

Compound Name2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal
PubChem CID57136734
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal
SMILESCOC(OC)[C@H]1[C@@H](C(C=O)CC(O)CO)[C@H](O)C[C@@H]1O
InChIInChI=1S/C13H24O7/c1-19-13(20-2)12-10(18)4-9(17)11(12)7(5-14)3-8(16)6-15/h5,7-13,15-18H,3-4,6H2,1-2H3/t7?,8?,9-,10+,11+,12-/m1/s1
InChIKeyRKFQQENZSRGHCK-MCPGOIETSA-N
XLogP-1.48
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1s,2r,3s,5r)-5-(2,2-Dimethoxyethyl)-3-hydroxy-2-methylcyclopentanecarboxylic acid methyl ester
CID 102320023
2-[3,5-Dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
CID 20510047
3-[2-(Dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid
CID 20541386
2-[5-Hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
CID 20575303
2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
CID 22811556
2-[(1S,2S,3S,5R)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
CID 22811560
3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid
CID 22812792
2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
CID 22822598
2-(2,4-Dihydroxycyclopentyl)-4,5-dihydroxypentanal
CID 53730737
3-[(1S,2S,3S,5R)-2-[(R)-3,4-dihydroxybutoxy(methoxy)methyl]-5-hydroxy-3-(oxan-4-yloxy)cyclopentyl]propanal
CID 56980484
2-[(1R,2S,3R,5S)-2-[(R)-3,4-dihydroxybutoxy(methoxy)methyl]-3,5-dihydroxycyclopentyl]acetaldehyde
CID 57047077
(1R,6aS,7R,9S,9aS)-7,9-dihydroxy-1-methoxy-6,6a,7,8,9,9a-hexahydro-1H-cyclopenta[e][1,3]dioxocin-5-one
CID 57189007

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal?
The IUPAC name of 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal (CID 57136734) is 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal.
What is the SMILES notation for 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal?
The canonical SMILES for 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal is COC(OC)[C@H]1[C@@H](C(C=O)CC(O)CO)[C@H](O)C[C@@H]1O.
What is the InChIKey of 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal?
The InChIKey is RKFQQENZSRGHCK-MCPGOIETSA-N. The full InChI is InChI=1S/C13H24O7/c1-19-13(20-2)12-10(18)4-9(17)11(12)7(5-14)3-8(16)6-15/h5,7-13,15-18H,3-4,6H2,1-2H3/t7?,8?,9-,10+,11+,12-/m1/s1.
What are the key properties of 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal?
2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal has a molecular weight of 292.33 g/mol, XLogP of -1.48, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,3S,5R)-2-(dimethoxymethyl)-3,5-dihydroxycyclopentyl]-4,5-dihydroxypentanal is sourced from PubChem (CID 57136734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).